Densely Packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1 × 1) Surface: Adsorption Behavior and Energy Level Alignment

Sylvie Rangan, Charles Ruggieri, Robert Bartynski, José Ignacio Martínez, Fernando Flores, José Ortega

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

The adsorption of a densely packed zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1 × 1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations, and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights.

Original languageEnglish (US)
Pages (from-to)4430-4437
Number of pages8
JournalJournal of Physical Chemistry C
Volume120
Issue number8
DOIs
StatePublished - Mar 3 2016

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rutile
Electron energy levels
Monolayers
energy levels
alignment
Photoelectron spectroscopy
Adsorption
adsorption
Density functional theory
tunnels
Tunnels
Microscopic examination
photoelectric emission
density functional theory
microscopy
Scanning
scanning
Ultraviolet spectroscopy
spectroscopy
Zinc

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Rangan, Sylvie ; Ruggieri, Charles ; Bartynski, Robert ; Martínez, José Ignacio ; Flores, Fernando ; Ortega, José. / Densely Packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1 × 1) Surface : Adsorption Behavior and Energy Level Alignment. In: Journal of Physical Chemistry C. 2016 ; Vol. 120, No. 8. pp. 4430-4437.
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Densely Packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1 × 1) Surface : Adsorption Behavior and Energy Level Alignment. / Rangan, Sylvie; Ruggieri, Charles; Bartynski, Robert; Martínez, José Ignacio; Flores, Fernando; Ortega, José.

In: Journal of Physical Chemistry C, Vol. 120, No. 8, 03.03.2016, p. 4430-4437.

Research output: Contribution to journalArticle

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AU - Rangan, Sylvie

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AB - The adsorption of a densely packed zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1 × 1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations, and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights.

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